USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot -124:sc= 0.703 USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.868 K(o=1.6,f=-9!) USER MOD Set 2.1: A 45 SER OG : rot 107:sc= 0.0531 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.0491 USER MOD Set 3.1: A 48 HIS : no HD1:sc= -0.317 X(o=-0.39,f=-0.13) USER MOD Set 3.2: A 65 MET CE :methyl -144:sc= -0.0746 (180deg=-1.42) USER MOD Set 4.1: A 35 GLN : amide:sc= -0.443 K(o=-0.26,f=-1.1) USER MOD Set 4.2: A 39 SER OG : rot 101:sc= 0.184 USER MOD Set 5.1: A 20 HIS : no HE2:sc= -4.24! C(o=-5.1!,f=-7!) USER MOD Set 5.2: A 109 CYS SG : rot -70:sc= -0.905 USER MOD Single : A 24 SER OG : rot 180:sc= -0.193 USER MOD Single : A 30 ASN : amide:sc= -0.0839 K(o=-0.084,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0055) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0997 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 86:sc= 0.611 USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.184 (180deg=-0.818) USER MOD Single : A 58 GLN : amide:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 28:sc= -1.32 USER MOD Single : A 62 CYS SG : rot 14:sc= 0.236 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -70:sc= -0.95 USER MOD Single : A 75 MET CE :methyl 180:sc= -1.72 (180deg=-1.72) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -3.36 F(o=-6.7!,f=-3.4) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 85 SER OG : rot 26:sc= 0.0129 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.61 X(o=-2.6,f=-3!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.4!) USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.660 2.110 -16.490 1.00 0.00 N ATOM 156 CA VAL A 15 -6.944 2.332 -15.240 1.00 0.00 C ATOM 157 C VAL A 15 -6.637 3.811 -15.037 1.00 0.00 C ATOM 158 O VAL A 15 -6.144 4.498 -15.933 1.00 0.00 O ATOM 159 CB VAL A 15 -5.626 1.536 -15.200 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.725 2.048 -14.087 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.906 0.051 -15.027 1.00 0.00 C ATOM 0 HA VAL A 15 -7.595 1.986 -14.437 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.108 1.678 -16.149 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.799 1.473 -14.075 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.497 3.100 -14.259 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.233 1.938 -13.129 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.964 -0.496 -15.001 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.446 -0.111 -14.094 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.509 -0.305 -15.862 1.00 0.00 H new ATOM 171 N PRO A 16 -6.932 4.317 -13.831 1.00 0.00 N ATOM 172 CA PRO A 16 -6.695 5.721 -13.481 1.00 0.00 C ATOM 173 C PRO A 16 -5.210 6.046 -13.362 1.00 0.00 C ATOM 174 O PRO A 16 -4.358 5.217 -13.675 1.00 0.00 O ATOM 175 CB PRO A 16 -7.386 5.870 -12.123 1.00 0.00 C ATOM 176 CG PRO A 16 -7.389 4.496 -11.548 1.00 0.00 C ATOM 177 CD PRO A 16 -7.520 3.558 -12.715 1.00 0.00 C ATOM 0 HA PRO A 16 -7.074 6.401 -14.244 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.849 6.567 -11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.400 6.255 -12.234 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.470 4.303 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.216 4.367 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.988 2.623 -12.541 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.561 3.301 -12.909 1.00 0.00 H new ATOM 185 N GLU A 17 -4.909 7.258 -12.907 1.00 0.00 N ATOM 186 CA GLU A 17 -3.526 7.692 -12.747 1.00 0.00 C ATOM 187 C GLU A 17 -3.051 7.476 -11.312 1.00 0.00 C ATOM 188 O GLU A 17 -1.910 7.078 -11.079 1.00 0.00 O ATOM 189 CB GLU A 17 -3.383 9.167 -13.126 1.00 0.00 C ATOM 190 CG GLU A 17 -4.569 10.020 -12.708 1.00 0.00 C ATOM 191 CD GLU A 17 -5.638 10.099 -13.780 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.378 10.720 -14.832 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.735 9.540 -13.568 1.00 0.00 O ATOM 0 H GLU A 17 -5.604 7.957 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.905 7.092 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.479 9.566 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.252 9.245 -14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.004 9.609 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.223 11.026 -12.471 1.00 0.00 H new ATOM 200 N TRP A 18 -3.934 7.742 -10.357 1.00 0.00 N ATOM 201 CA TRP A 18 -3.605 7.578 -8.945 1.00 0.00 C ATOM 202 C TRP A 18 -3.284 6.122 -8.628 1.00 0.00 C ATOM 203 O TRP A 18 -2.821 5.804 -7.532 1.00 0.00 O ATOM 204 CB TRP A 18 -4.764 8.061 -8.071 1.00 0.00 C ATOM 205 CG TRP A 18 -6.073 7.415 -8.412 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.018 7.886 -9.277 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.581 6.182 -7.891 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.084 7.020 -9.326 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.840 5.966 -8.485 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.095 5.238 -6.982 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.617 4.847 -8.198 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.867 4.128 -6.698 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.117 3.940 -7.304 1.00 0.00 C ATOM 0 H TRP A 18 -4.883 8.072 -10.534 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.722 8.180 -8.730 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.529 7.861 -7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.862 9.142 -8.174 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.940 8.804 -9.840 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.921 7.142 -9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.133 5.374 -6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.580 4.700 -8.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.501 3.392 -5.997 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.697 3.062 -7.060 1.00 0.00 H new ATOM 224 N PHE A 19 -3.531 5.241 -9.591 1.00 0.00 N ATOM 225 CA PHE A 19 -3.269 3.818 -9.412 1.00 0.00 C ATOM 226 C PHE A 19 -1.953 3.421 -10.075 1.00 0.00 C ATOM 227 O PHE A 19 -1.923 3.046 -11.248 1.00 0.00 O ATOM 228 CB PHE A 19 -4.415 2.990 -9.994 1.00 0.00 C ATOM 229 CG PHE A 19 -4.336 1.530 -9.647 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.358 1.116 -8.325 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.240 0.573 -10.643 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.284 -0.226 -8.004 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.166 -0.772 -10.329 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.189 -1.171 -9.007 1.00 0.00 C ATOM 0 H PHE A 19 -3.913 5.488 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.193 3.619 -8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.362 3.390 -9.633 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.416 3.098 -11.079 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.434 1.850 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.223 0.881 -11.678 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.300 -0.536 -6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.090 -1.508 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.133 -2.220 -8.758 1.00 0.00 H new ATOM 244 N HIS A 20 -0.865 3.506 -9.315 1.00 0.00 N ATOM 245 CA HIS A 20 0.455 3.155 -9.827 1.00 0.00 C ATOM 246 C HIS A 20 0.740 1.670 -9.625 1.00 0.00 C ATOM 247 O HIS A 20 1.880 1.273 -9.386 1.00 0.00 O ATOM 248 CB HIS A 20 1.532 3.992 -9.137 1.00 0.00 C ATOM 249 CG HIS A 20 1.367 5.467 -9.339 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.242 6.227 -10.087 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.419 6.321 -8.888 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.840 7.485 -10.085 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.736 7.569 -9.365 1.00 0.00 N ATOM 0 H HIS A 20 -0.872 3.815 -8.343 1.00 0.00 H new ATOM 0 HA HIS A 20 0.470 3.367 -10.896 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.519 3.776 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.510 3.690 -9.511 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.070 5.873 -10.566 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.429 6.068 -8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.331 8.306 -10.587 1.00 0.00 H new ATOM 261 N GLY A 21 -0.305 0.854 -9.721 1.00 0.00 N ATOM 262 CA GLY A 21 -0.147 -0.578 -9.545 1.00 0.00 C ATOM 263 C GLY A 21 0.662 -0.924 -8.310 1.00 0.00 C ATOM 264 O GLY A 21 0.364 -0.453 -7.213 1.00 0.00 O ATOM 0 H GLY A 21 -1.258 1.159 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.130 -1.043 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.341 -0.998 -10.425 1.00 0.00 H new ATOM 268 N ALA A 22 1.686 -1.752 -8.489 1.00 0.00 N ATOM 269 CA ALA A 22 2.541 -2.159 -7.380 1.00 0.00 C ATOM 270 C ALA A 22 3.910 -1.495 -7.468 1.00 0.00 C ATOM 271 O ALA A 22 4.792 -1.963 -8.189 1.00 0.00 O ATOM 272 CB ALA A 22 2.687 -3.675 -7.357 1.00 0.00 C ATOM 0 H ALA A 22 1.944 -2.154 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 22 2.070 -1.835 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.328 -3.966 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.705 -4.133 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.133 -4.012 -8.293 1.00 0.00 H new ATOM 278 N ILE A 23 4.081 -0.402 -6.732 1.00 0.00 N ATOM 279 CA ILE A 23 5.343 0.325 -6.727 1.00 0.00 C ATOM 280 C ILE A 23 6.017 0.248 -5.361 1.00 0.00 C ATOM 281 O ILE A 23 5.421 -0.216 -4.389 1.00 0.00 O ATOM 282 CB ILE A 23 5.142 1.805 -7.105 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.039 2.427 -6.246 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.805 1.933 -8.583 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.097 3.938 -6.190 1.00 0.00 C ATOM 0 H ILE A 23 3.361 -0.001 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 23 5.982 -0.148 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 23 6.071 2.343 -6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.069 2.123 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.111 2.031 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.666 2.984 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.620 1.522 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.887 1.385 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.286 4.310 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.053 4.250 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.994 4.344 -7.196 1.00 0.00 H new ATOM 297 N SER A 24 7.262 0.708 -5.295 1.00 0.00 N ATOM 298 CA SER A 24 8.020 0.690 -4.049 1.00 0.00 C ATOM 299 C SER A 24 8.027 2.070 -3.397 1.00 0.00 C ATOM 300 O SER A 24 8.011 3.092 -4.083 1.00 0.00 O ATOM 301 CB SER A 24 9.455 0.227 -4.305 1.00 0.00 C ATOM 302 OG SER A 24 10.306 0.587 -3.231 1.00 0.00 O ATOM 0 H SER A 24 7.768 1.098 -6.090 1.00 0.00 H new ATOM 0 HA SER A 24 7.536 -0.012 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.473 -0.854 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.824 0.670 -5.230 1.00 0.00 H new ATOM 0 HG SER A 24 11.217 0.278 -3.418 1.00 0.00 H new ATOM 308 N ARG A 25 8.050 2.091 -2.069 1.00 0.00 N ATOM 309 CA ARG A 25 8.059 3.343 -1.323 1.00 0.00 C ATOM 310 C ARG A 25 8.906 4.394 -2.036 1.00 0.00 C ATOM 311 O ARG A 25 8.469 5.526 -2.235 1.00 0.00 O ATOM 312 CB ARG A 25 8.592 3.116 0.092 1.00 0.00 C ATOM 313 CG ARG A 25 8.690 4.388 0.917 1.00 0.00 C ATOM 314 CD ARG A 25 9.846 4.325 1.905 1.00 0.00 C ATOM 315 NE ARG A 25 11.117 4.043 1.242 1.00 0.00 N ATOM 316 CZ ARG A 25 12.218 3.680 1.890 1.00 0.00 C ATOM 317 NH1 ARG A 25 12.204 3.554 3.210 1.00 0.00 N ATOM 318 NH2 ARG A 25 13.336 3.440 1.218 1.00 0.00 N ATOM 0 H ARG A 25 8.063 1.254 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 25 7.034 3.708 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.942 2.408 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.578 2.656 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.823 5.243 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.756 4.545 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.918 5.272 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.646 3.554 2.649 1.00 0.00 H new ATOM 0 HE ARG A 25 11.161 4.130 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.346 3.736 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.051 3.275 3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.351 3.534 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.181 3.161 1.717 1.00 0.00 H new ATOM 332 N GLU A 26 10.121 4.009 -2.414 1.00 0.00 N ATOM 333 CA GLU A 26 11.030 4.919 -3.103 1.00 0.00 C ATOM 334 C GLU A 26 10.367 5.515 -4.341 1.00 0.00 C ATOM 335 O GLU A 26 10.408 6.726 -4.559 1.00 0.00 O ATOM 336 CB GLU A 26 12.314 4.189 -3.501 1.00 0.00 C ATOM 337 CG GLU A 26 12.121 3.188 -4.628 1.00 0.00 C ATOM 338 CD GLU A 26 13.398 2.447 -4.974 1.00 0.00 C ATOM 339 OE1 GLU A 26 13.761 1.510 -4.232 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.035 2.804 -5.988 1.00 0.00 O ATOM 0 H GLU A 26 10.499 3.075 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 26 11.279 5.730 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.061 4.923 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.712 3.670 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.354 2.468 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.756 3.709 -5.513 1.00 0.00 H new ATOM 347 N ASP A 27 9.757 4.656 -5.151 1.00 0.00 N ATOM 348 CA ASP A 27 9.085 5.097 -6.368 1.00 0.00 C ATOM 349 C ASP A 27 7.973 6.091 -6.045 1.00 0.00 C ATOM 350 O ASP A 27 8.010 7.241 -6.483 1.00 0.00 O ATOM 351 CB ASP A 27 8.509 3.897 -7.121 1.00 0.00 C ATOM 352 CG ASP A 27 9.510 3.281 -8.078 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.212 4.043 -8.774 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.590 2.035 -8.133 1.00 0.00 O ATOM 0 H ASP A 27 9.714 3.650 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 27 9.821 5.594 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.185 3.143 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.625 4.210 -7.676 1.00 0.00 H new ATOM 359 N ALA A 28 6.987 5.640 -5.278 1.00 0.00 N ATOM 360 CA ALA A 28 5.866 6.490 -4.896 1.00 0.00 C ATOM 361 C ALA A 28 6.352 7.841 -4.382 1.00 0.00 C ATOM 362 O ALA A 28 5.837 8.886 -4.779 1.00 0.00 O ATOM 363 CB ALA A 28 5.014 5.798 -3.842 1.00 0.00 C ATOM 0 H ALA A 28 6.941 4.690 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 28 5.257 6.665 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.181 6.444 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.629 4.861 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.621 5.593 -2.960 1.00 0.00 H new ATOM 369 N GLU A 29 7.345 7.811 -3.499 1.00 0.00 N ATOM 370 CA GLU A 29 7.898 9.036 -2.931 1.00 0.00 C ATOM 371 C GLU A 29 8.560 9.885 -4.011 1.00 0.00 C ATOM 372 O GLU A 29 8.487 11.113 -3.982 1.00 0.00 O ATOM 373 CB GLU A 29 8.911 8.703 -1.835 1.00 0.00 C ATOM 374 CG GLU A 29 8.273 8.310 -0.513 1.00 0.00 C ATOM 375 CD GLU A 29 9.203 8.511 0.667 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.957 9.506 0.664 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.177 7.674 1.593 1.00 0.00 O ATOM 0 H GLU A 29 7.783 6.954 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 29 7.078 9.608 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.549 7.888 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.556 9.567 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.368 8.898 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.969 7.264 -0.557 1.00 0.00 H new ATOM 384 N ASN A 30 9.208 9.221 -4.964 1.00 0.00 N ATOM 385 CA ASN A 30 9.885 9.915 -6.053 1.00 0.00 C ATOM 386 C ASN A 30 8.876 10.505 -7.034 1.00 0.00 C ATOM 387 O ASN A 30 9.142 11.517 -7.683 1.00 0.00 O ATOM 388 CB ASN A 30 10.827 8.959 -6.787 1.00 0.00 C ATOM 389 CG ASN A 30 12.202 8.899 -6.150 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.462 9.561 -5.145 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.090 8.102 -6.733 1.00 0.00 N ATOM 0 H ASN A 30 9.278 8.204 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 30 10.467 10.731 -5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.391 7.960 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.924 9.275 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.031 8.020 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.831 7.572 -7.565 1.00 0.00 H new ATOM 398 N LEU A 31 7.716 9.865 -7.136 1.00 0.00 N ATOM 399 CA LEU A 31 6.665 10.326 -8.037 1.00 0.00 C ATOM 400 C LEU A 31 6.015 11.601 -7.508 1.00 0.00 C ATOM 401 O LEU A 31 5.551 12.441 -8.281 1.00 0.00 O ATOM 402 CB LEU A 31 5.606 9.237 -8.216 1.00 0.00 C ATOM 403 CG LEU A 31 5.837 8.260 -9.368 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.200 6.913 -9.062 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.288 8.827 -10.668 1.00 0.00 C ATOM 0 H LEU A 31 7.480 9.026 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 31 7.119 10.545 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.540 8.666 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.639 9.719 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 31 6.911 8.114 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.375 6.230 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.641 6.500 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.127 7.042 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.462 8.117 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.217 9.004 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.791 9.767 -10.896 1.00 0.00 H new ATOM 417 N LEU A 32 5.986 11.741 -6.188 1.00 0.00 N ATOM 418 CA LEU A 32 5.396 12.915 -5.555 1.00 0.00 C ATOM 419 C LEU A 32 6.444 14.001 -5.336 1.00 0.00 C ATOM 420 O LEU A 32 6.117 15.185 -5.261 1.00 0.00 O ATOM 421 CB LEU A 32 4.755 12.532 -4.219 1.00 0.00 C ATOM 422 CG LEU A 32 3.689 11.437 -4.276 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.311 10.987 -2.873 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.461 11.927 -5.029 1.00 0.00 C ATOM 0 H LEU A 32 6.364 11.056 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 32 4.627 13.307 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.544 12.208 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.307 13.425 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 32 4.102 10.582 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.551 10.208 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.193 10.596 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.917 11.835 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.713 11.135 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.047 12.798 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.743 12.200 -6.046 1.00 0.00 H new ATOM 436 N GLU A 33 7.704 13.588 -5.236 1.00 0.00 N ATOM 437 CA GLU A 33 8.800 14.528 -5.028 1.00 0.00 C ATOM 438 C GLU A 33 8.808 15.604 -6.110 1.00 0.00 C ATOM 439 O GLU A 33 9.084 16.772 -5.837 1.00 0.00 O ATOM 440 CB GLU A 33 10.140 13.788 -5.017 1.00 0.00 C ATOM 441 CG GLU A 33 10.786 13.681 -6.389 1.00 0.00 C ATOM 442 CD GLU A 33 11.826 12.580 -6.458 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.579 12.411 -5.477 1.00 0.00 O ATOM 444 OE2 GLU A 33 11.886 11.888 -7.496 1.00 0.00 O ATOM 0 H GLU A 33 7.991 12.611 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 33 8.652 15.011 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.824 14.302 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.989 12.786 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.015 13.495 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.252 14.633 -6.642 1.00 0.00 H new ATOM 451 N SER A 34 8.505 15.200 -7.339 1.00 0.00 N ATOM 452 CA SER A 34 8.481 16.127 -8.465 1.00 0.00 C ATOM 453 C SER A 34 7.060 16.603 -8.747 1.00 0.00 C ATOM 454 O SER A 34 6.754 17.057 -9.849 1.00 0.00 O ATOM 455 CB SER A 34 9.067 15.463 -9.712 1.00 0.00 C ATOM 456 OG SER A 34 10.477 15.597 -9.748 1.00 0.00 O ATOM 0 H SER A 34 8.273 14.237 -7.581 1.00 0.00 H new ATOM 0 HA SER A 34 9.089 16.993 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.799 14.407 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.633 15.913 -10.605 1.00 0.00 H new ATOM 0 HG SER A 34 10.826 15.163 -10.554 1.00 0.00 H new ATOM 462 N GLN A 35 6.195 16.494 -7.743 1.00 0.00 N ATOM 463 CA GLN A 35 4.806 16.912 -7.883 1.00 0.00 C ATOM 464 C GLN A 35 4.467 18.018 -6.890 1.00 0.00 C ATOM 465 O GLN A 35 5.107 18.168 -5.849 1.00 0.00 O ATOM 466 CB GLN A 35 3.870 15.720 -7.678 1.00 0.00 C ATOM 467 CG GLN A 35 3.835 14.763 -8.858 1.00 0.00 C ATOM 468 CD GLN A 35 3.172 15.367 -10.080 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.016 15.788 -10.029 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.902 15.413 -11.188 1.00 0.00 N ATOM 0 H GLN A 35 6.432 16.120 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 35 4.670 17.302 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.181 15.174 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.862 16.089 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.853 14.467 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.301 13.857 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.856 15.053 -11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.509 15.809 -12.042 1.00 0.00 H new ATOM 479 N PRO A 36 3.437 18.812 -7.215 1.00 0.00 N ATOM 480 CA PRO A 36 2.989 19.918 -6.363 1.00 0.00 C ATOM 481 C PRO A 36 2.333 19.429 -5.076 1.00 0.00 C ATOM 482 O PRO A 36 1.762 18.339 -5.033 1.00 0.00 O ATOM 483 CB PRO A 36 1.968 20.650 -7.238 1.00 0.00 C ATOM 484 CG PRO A 36 1.468 19.612 -8.184 1.00 0.00 C ATOM 485 CD PRO A 36 2.627 18.691 -8.440 1.00 0.00 C ATOM 0 HA PRO A 36 3.820 20.545 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.157 21.063 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.427 21.483 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.625 19.069 -7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.118 20.066 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.297 17.665 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.189 18.989 -9.325 1.00 0.00 H new ATOM 493 N LEU A 37 2.417 20.243 -4.029 1.00 0.00 N ATOM 494 CA LEU A 37 1.831 19.894 -2.740 1.00 0.00 C ATOM 495 C LEU A 37 0.365 19.504 -2.896 1.00 0.00 C ATOM 496 O LEU A 37 -0.423 20.237 -3.490 1.00 0.00 O ATOM 497 CB LEU A 37 1.958 21.066 -1.766 1.00 0.00 C ATOM 498 CG LEU A 37 2.101 20.699 -0.288 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.914 19.868 0.173 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.404 19.951 -0.049 1.00 0.00 C ATOM 0 H LEU A 37 2.885 21.149 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 37 2.375 19.038 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.823 21.662 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.080 21.702 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 37 2.121 21.619 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.033 19.616 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.004 20.439 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.861 18.952 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.490 19.698 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.413 19.037 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.244 20.582 -0.340 1.00 0.00 H new ATOM 512 N GLY A 38 0.006 18.342 -2.357 1.00 0.00 N ATOM 513 CA GLY A 38 -1.365 17.876 -2.444 1.00 0.00 C ATOM 514 C GLY A 38 -1.509 16.668 -3.349 1.00 0.00 C ATOM 515 O GLY A 38 -2.497 15.938 -3.269 1.00 0.00 O ATOM 0 H GLY A 38 0.641 17.716 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.724 17.624 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.997 18.682 -2.816 1.00 0.00 H new ATOM 519 N SER A 39 -0.522 16.459 -4.214 1.00 0.00 N ATOM 520 CA SER A 39 -0.546 15.334 -5.144 1.00 0.00 C ATOM 521 C SER A 39 -0.614 14.010 -4.390 1.00 0.00 C ATOM 522 O SER A 39 0.304 13.654 -3.651 1.00 0.00 O ATOM 523 CB SER A 39 0.692 15.360 -6.041 1.00 0.00 C ATOM 524 OG SER A 39 0.883 16.645 -6.609 1.00 0.00 O ATOM 0 H SER A 39 0.304 17.053 -4.291 1.00 0.00 H new ATOM 0 HA SER A 39 -1.437 15.426 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.571 15.081 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.586 14.620 -6.834 1.00 0.00 H new ATOM 0 HG SER A 39 1.577 17.123 -6.110 1.00 0.00 H new ATOM 530 N PHE A 40 -1.710 13.282 -4.585 1.00 0.00 N ATOM 531 CA PHE A 40 -1.900 11.995 -3.924 1.00 0.00 C ATOM 532 C PHE A 40 -1.726 10.845 -4.912 1.00 0.00 C ATOM 533 O PHE A 40 -1.856 11.027 -6.123 1.00 0.00 O ATOM 534 CB PHE A 40 -3.289 11.927 -3.284 1.00 0.00 C ATOM 535 CG PHE A 40 -4.398 11.748 -4.280 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.740 10.485 -4.737 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.101 12.843 -4.760 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.762 10.317 -5.651 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.124 12.680 -5.674 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.453 11.416 -6.122 1.00 0.00 C ATOM 0 H PHE A 40 -2.479 13.561 -5.194 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.143 11.899 -3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.313 11.101 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.464 12.841 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.201 9.622 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.846 13.834 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.020 9.327 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.666 13.540 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.250 11.287 -6.840 1.00 0.00 H new ATOM 550 N LEU A 41 -1.430 9.662 -4.386 1.00 0.00 N ATOM 551 CA LEU A 41 -1.237 8.481 -5.221 1.00 0.00 C ATOM 552 C LEU A 41 -1.305 7.207 -4.384 1.00 0.00 C ATOM 553 O LEU A 41 -0.894 7.192 -3.223 1.00 0.00 O ATOM 554 CB LEU A 41 0.107 8.558 -5.945 1.00 0.00 C ATOM 555 CG LEU A 41 1.289 7.892 -5.240 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.376 8.351 -3.793 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.169 6.377 -5.314 1.00 0.00 C ATOM 0 H LEU A 41 -1.318 9.495 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.038 8.453 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.007 8.103 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.351 9.608 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 41 2.205 8.190 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.223 7.866 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.510 9.432 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.457 8.084 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.019 5.920 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.245 6.061 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.157 6.063 -6.358 1.00 0.00 H new ATOM 569 N ILE A 42 -1.824 6.140 -4.983 1.00 0.00 N ATOM 570 CA ILE A 42 -1.941 4.860 -4.295 1.00 0.00 C ATOM 571 C ILE A 42 -1.093 3.791 -4.973 1.00 0.00 C ATOM 572 O ILE A 42 -0.881 3.829 -6.184 1.00 0.00 O ATOM 573 CB ILE A 42 -3.405 4.383 -4.242 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.277 5.417 -3.528 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.496 3.032 -3.544 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.760 5.147 -3.655 1.00 0.00 C ATOM 0 H ILE A 42 -2.170 6.137 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.580 5.014 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.772 4.270 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.009 5.439 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.060 6.405 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.536 2.707 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.903 2.299 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.114 3.121 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.317 5.919 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.042 5.154 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.991 4.173 -3.224 1.00 0.00 H new ATOM 588 N ARG A 43 -0.611 2.836 -4.183 1.00 0.00 N ATOM 589 CA ARG A 43 0.215 1.755 -4.708 1.00 0.00 C ATOM 590 C ARG A 43 -0.130 0.432 -4.031 1.00 0.00 C ATOM 591 O ARG A 43 0.091 0.259 -2.832 1.00 0.00 O ATOM 592 CB ARG A 43 1.698 2.073 -4.505 1.00 0.00 C ATOM 593 CG ARG A 43 2.103 2.187 -3.045 1.00 0.00 C ATOM 594 CD ARG A 43 3.269 3.146 -2.863 1.00 0.00 C ATOM 595 NE ARG A 43 3.560 3.391 -1.453 1.00 0.00 N ATOM 596 CZ ARG A 43 4.152 2.506 -0.660 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.516 1.322 -1.136 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.384 2.803 0.613 1.00 0.00 N ATOM 0 H ARG A 43 -0.778 2.789 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 43 0.014 1.662 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.296 1.295 -4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.933 3.009 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.253 2.531 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.377 1.203 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.154 2.737 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.042 4.091 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 43 3.294 4.292 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.341 1.090 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.971 0.644 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.107 3.712 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.839 2.122 1.221 1.00 0.00 H new ATOM 612 N VAL A 44 -0.671 -0.501 -4.808 1.00 0.00 N ATOM 613 CA VAL A 44 -1.047 -1.809 -4.285 1.00 0.00 C ATOM 614 C VAL A 44 -0.074 -2.268 -3.205 1.00 0.00 C ATOM 615 O VAL A 44 1.141 -2.259 -3.404 1.00 0.00 O ATOM 616 CB VAL A 44 -1.092 -2.868 -5.402 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.181 -4.266 -4.810 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.259 -2.602 -6.342 1.00 0.00 C ATOM 0 H VAL A 44 -0.859 -0.375 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.042 -1.704 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.169 -2.802 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.212 -5.001 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.309 -4.452 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.086 -4.349 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.275 -3.360 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.193 -2.639 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.145 -1.616 -6.793 1.00 0.00 H new ATOM 628 N SER A 45 -0.616 -2.669 -2.060 1.00 0.00 N ATOM 629 CA SER A 45 0.204 -3.129 -0.945 1.00 0.00 C ATOM 630 C SER A 45 0.501 -4.620 -1.068 1.00 0.00 C ATOM 631 O SER A 45 -0.290 -5.378 -1.630 1.00 0.00 O ATOM 632 CB SER A 45 -0.499 -2.844 0.384 1.00 0.00 C ATOM 633 OG SER A 45 0.437 -2.723 1.441 1.00 0.00 O ATOM 0 H SER A 45 -1.620 -2.685 -1.880 1.00 0.00 H new ATOM 0 HA SER A 45 1.148 -2.585 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.080 -1.925 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.202 -3.647 0.607 1.00 0.00 H new ATOM 0 HG SER A 45 0.509 -1.783 1.708 1.00 0.00 H new ATOM 639 N HIS A 46 1.647 -5.034 -0.537 1.00 0.00 N ATOM 640 CA HIS A 46 2.050 -6.436 -0.586 1.00 0.00 C ATOM 641 C HIS A 46 2.247 -6.993 0.820 1.00 0.00 C ATOM 642 O HIS A 46 1.824 -8.109 1.120 1.00 0.00 O ATOM 643 CB HIS A 46 3.339 -6.589 -1.394 1.00 0.00 C ATOM 644 CG HIS A 46 3.118 -6.614 -2.875 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.679 -7.562 -3.705 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.389 -5.801 -3.676 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.308 -7.329 -4.951 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.524 -6.266 -4.961 1.00 0.00 N ATOM 0 H HIS A 46 2.313 -4.420 -0.068 1.00 0.00 H new ATOM 0 HA HIS A 46 1.256 -7.001 -1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.011 -5.767 -1.149 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.839 -7.510 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.809 -4.946 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.597 -7.909 -5.815 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.090 -5.857 -5.788 1.00 0.00 H new ATOM 656 N SER A 47 2.894 -6.210 1.678 1.00 0.00 N ATOM 657 CA SER A 47 3.151 -6.628 3.050 1.00 0.00 C ATOM 658 C SER A 47 1.883 -7.175 3.698 1.00 0.00 C ATOM 659 O SER A 47 1.882 -8.273 4.255 1.00 0.00 O ATOM 660 CB SER A 47 3.691 -5.455 3.870 1.00 0.00 C ATOM 661 OG SER A 47 2.787 -4.363 3.856 1.00 0.00 O ATOM 0 H SER A 47 3.250 -5.282 1.446 1.00 0.00 H new ATOM 0 HA SER A 47 3.898 -7.421 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.864 -5.775 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.654 -5.139 3.468 1.00 0.00 H new ATOM 0 HG SER A 47 3.155 -3.627 4.389 1.00 0.00 H new ATOM 667 N HIS A 48 0.805 -6.402 3.621 1.00 0.00 N ATOM 668 CA HIS A 48 -0.471 -6.808 4.199 1.00 0.00 C ATOM 669 C HIS A 48 -1.591 -6.708 3.169 1.00 0.00 C ATOM 670 O HIS A 48 -1.519 -5.910 2.234 1.00 0.00 O ATOM 671 CB HIS A 48 -0.802 -5.943 5.415 1.00 0.00 C ATOM 672 CG HIS A 48 -1.469 -4.647 5.065 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.770 -3.497 4.770 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.780 -4.327 4.964 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.622 -2.523 4.502 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.848 -3.000 4.612 1.00 0.00 N ATOM 0 H HIS A 48 0.789 -5.490 3.164 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.384 -7.848 4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.451 -6.506 6.086 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.117 -5.733 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.616 -4.990 5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.360 -1.509 4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.706 -2.470 4.460 1.00 0.00 H new ATOM 684 N VAL A 49 -2.626 -7.523 3.345 1.00 0.00 N ATOM 685 CA VAL A 49 -3.762 -7.526 2.431 1.00 0.00 C ATOM 686 C VAL A 49 -4.460 -6.172 2.417 1.00 0.00 C ATOM 687 O VAL A 49 -5.033 -5.747 3.419 1.00 0.00 O ATOM 688 CB VAL A 49 -4.784 -8.615 2.809 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.350 -8.356 4.197 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.897 -8.683 1.775 1.00 0.00 C ATOM 0 H VAL A 49 -2.701 -8.190 4.113 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.368 -7.738 1.437 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.274 -9.578 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.070 -9.135 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.541 -8.362 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.845 -7.385 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.610 -9.458 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.407 -7.721 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.473 -8.919 0.799 1.00 0.00 H new ATOM 700 N GLY A 50 -4.407 -5.496 1.272 1.00 0.00 N ATOM 701 CA GLY A 50 -5.039 -4.196 1.149 1.00 0.00 C ATOM 702 C GLY A 50 -4.255 -3.253 0.259 1.00 0.00 C ATOM 703 O GLY A 50 -3.558 -3.688 -0.657 1.00 0.00 O ATOM 0 H GLY A 50 -3.938 -5.826 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.044 -4.321 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.146 -3.752 2.139 1.00 0.00 H new ATOM 707 N TYR A 51 -4.370 -1.956 0.527 1.00 0.00 N ATOM 708 CA TYR A 51 -3.669 -0.948 -0.260 1.00 0.00 C ATOM 709 C TYR A 51 -3.035 0.104 0.646 1.00 0.00 C ATOM 710 O TYR A 51 -3.302 0.151 1.846 1.00 0.00 O ATOM 711 CB TYR A 51 -4.630 -0.279 -1.243 1.00 0.00 C ATOM 712 CG TYR A 51 -5.279 -1.246 -2.208 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.316 -2.075 -1.800 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.852 -1.332 -3.528 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.910 -2.960 -2.678 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.442 -2.213 -4.413 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.471 -3.025 -3.983 1.00 0.00 C ATOM 718 OH TYR A 51 -7.060 -3.906 -4.862 1.00 0.00 O ATOM 0 H TYR A 51 -4.942 -1.579 1.283 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.877 -1.445 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.408 0.239 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.088 0.478 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.664 -2.027 -0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.045 -0.699 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.715 -3.598 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.100 -2.266 -5.436 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.634 -3.825 -5.741 1.00 0.00 H new ATOM 728 N THR A 52 -2.194 0.950 0.059 1.00 0.00 N ATOM 729 CA THR A 52 -1.521 2.003 0.809 1.00 0.00 C ATOM 730 C THR A 52 -1.679 3.355 0.124 1.00 0.00 C ATOM 731 O THR A 52 -1.188 3.560 -0.987 1.00 0.00 O ATOM 732 CB THR A 52 -0.020 1.699 0.981 1.00 0.00 C ATOM 733 OG1 THR A 52 0.153 0.468 1.691 1.00 0.00 O ATOM 734 CG2 THR A 52 0.678 2.825 1.729 1.00 0.00 C ATOM 0 H THR A 52 -1.963 0.926 -0.934 1.00 0.00 H new ATOM 0 HA THR A 52 -1.992 2.040 1.791 1.00 0.00 H new ATOM 0 HB THR A 52 0.426 1.611 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.110 0.282 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.736 2.588 1.838 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.570 3.755 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.228 2.940 2.715 1.00 0.00 H new ATOM 742 N LEU A 53 -2.367 4.275 0.791 1.00 0.00 N ATOM 743 CA LEU A 53 -2.590 5.609 0.245 1.00 0.00 C ATOM 744 C LEU A 53 -1.504 6.575 0.708 1.00 0.00 C ATOM 745 O LEU A 53 -1.059 6.521 1.854 1.00 0.00 O ATOM 746 CB LEU A 53 -3.965 6.130 0.666 1.00 0.00 C ATOM 747 CG LEU A 53 -4.180 7.638 0.533 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.570 7.998 -0.893 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.243 8.113 1.513 1.00 0.00 C ATOM 0 H LEU A 53 -2.780 4.122 1.711 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.551 5.541 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.722 5.621 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.135 5.849 1.705 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.243 8.142 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.719 9.075 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.777 7.693 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.494 7.485 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.383 9.189 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.183 7.602 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.925 7.889 2.531 1.00 0.00 H new ATOM 761 N SER A 54 -1.083 7.458 -0.191 1.00 0.00 N ATOM 762 CA SER A 54 -0.048 8.436 0.125 1.00 0.00 C ATOM 763 C SER A 54 -0.251 9.719 -0.675 1.00 0.00 C ATOM 764 O SER A 54 -1.003 9.745 -1.649 1.00 0.00 O ATOM 765 CB SER A 54 1.337 7.855 -0.164 1.00 0.00 C ATOM 766 OG SER A 54 1.724 6.934 0.841 1.00 0.00 O ATOM 0 H SER A 54 -1.442 7.517 -1.144 1.00 0.00 H new ATOM 0 HA SER A 54 -0.120 8.675 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.331 7.358 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.068 8.661 -0.223 1.00 0.00 H new ATOM 0 HG SER A 54 2.584 7.209 1.223 1.00 0.00 H new ATOM 772 N TYR A 55 0.427 10.783 -0.257 1.00 0.00 N ATOM 773 CA TYR A 55 0.320 12.071 -0.932 1.00 0.00 C ATOM 774 C TYR A 55 1.288 13.084 -0.328 1.00 0.00 C ATOM 775 O TYR A 55 1.590 13.038 0.865 1.00 0.00 O ATOM 776 CB TYR A 55 -1.112 12.601 -0.842 1.00 0.00 C ATOM 777 CG TYR A 55 -1.547 12.932 0.568 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.098 14.083 1.203 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.409 12.093 1.264 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.492 14.388 2.491 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.810 12.391 2.552 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.349 13.540 3.162 1.00 0.00 C ATOM 783 OH TYR A 55 -2.745 13.842 4.444 1.00 0.00 O ATOM 0 H TYR A 55 1.056 10.779 0.546 1.00 0.00 H new ATOM 0 HA TYR A 55 0.581 11.926 -1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.199 13.495 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.792 11.858 -1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.429 14.751 0.680 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.772 11.193 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.131 15.286 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.481 11.728 3.079 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.521 14.440 4.414 1.00 0.00 H new ATOM 793 N LYS A 56 1.773 13.999 -1.161 1.00 0.00 N ATOM 794 CA LYS A 56 2.706 15.025 -0.712 1.00 0.00 C ATOM 795 C LYS A 56 2.036 15.974 0.277 1.00 0.00 C ATOM 796 O LYS A 56 0.954 16.497 0.015 1.00 0.00 O ATOM 797 CB LYS A 56 3.241 15.815 -1.908 1.00 0.00 C ATOM 798 CG LYS A 56 4.605 16.437 -1.666 1.00 0.00 C ATOM 799 CD LYS A 56 5.727 15.496 -2.072 1.00 0.00 C ATOM 800 CE LYS A 56 6.979 15.729 -1.241 1.00 0.00 C ATOM 801 NZ LYS A 56 6.739 15.474 0.206 1.00 0.00 N ATOM 0 H LYS A 56 1.535 14.051 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 56 3.537 14.530 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.301 15.153 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.531 16.603 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.687 17.367 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.707 16.693 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.398 14.464 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.958 15.638 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.778 15.078 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.320 16.755 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.619 15.144 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.427 16.353 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.003 14.747 0.313 1.00 0.00 H new ATOM 815 N ALA A 57 2.687 16.190 1.415 1.00 0.00 N ATOM 816 CA ALA A 57 2.157 17.078 2.443 1.00 0.00 C ATOM 817 C ALA A 57 3.137 18.202 2.758 1.00 0.00 C ATOM 818 O ALA A 57 4.351 18.025 2.656 1.00 0.00 O ATOM 819 CB ALA A 57 1.830 16.291 3.704 1.00 0.00 C ATOM 0 H ALA A 57 3.583 15.762 1.649 1.00 0.00 H new ATOM 0 HA ALA A 57 1.241 17.528 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.435 16.967 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.085 15.529 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.735 15.813 4.079 1.00 0.00 H new ATOM 825 N GLN A 58 2.603 19.358 3.139 1.00 0.00 N ATOM 826 CA GLN A 58 3.433 20.510 3.467 1.00 0.00 C ATOM 827 C GLN A 58 4.678 20.084 4.238 1.00 0.00 C ATOM 828 O GLN A 58 5.771 20.601 4.006 1.00 0.00 O ATOM 829 CB GLN A 58 2.634 21.524 4.288 1.00 0.00 C ATOM 830 CG GLN A 58 1.649 22.335 3.462 1.00 0.00 C ATOM 831 CD GLN A 58 0.281 21.686 3.382 1.00 0.00 C ATOM 832 OE1 GLN A 58 -0.288 21.545 2.299 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.253 21.287 4.529 1.00 0.00 N ATOM 0 H GLN A 58 1.600 19.521 3.228 1.00 0.00 H new ATOM 0 HA GLN A 58 3.748 20.975 2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.090 20.997 5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.327 22.204 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.550 23.330 3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.045 22.464 2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.255 21.424 5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.171 20.843 4.537 1.00 0.00 H new ATOM 842 N SER A 59 4.505 19.137 5.153 1.00 0.00 N ATOM 843 CA SER A 59 5.615 18.643 5.961 1.00 0.00 C ATOM 844 C SER A 59 6.482 17.676 5.160 1.00 0.00 C ATOM 845 O SER A 59 7.624 17.986 4.820 1.00 0.00 O ATOM 846 CB SER A 59 5.089 17.952 7.220 1.00 0.00 C ATOM 847 OG SER A 59 4.229 18.808 7.952 1.00 0.00 O ATOM 0 H SER A 59 3.608 18.696 5.354 1.00 0.00 H new ATOM 0 HA SER A 59 6.228 19.496 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.553 17.044 6.943 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.926 17.649 7.849 1.00 0.00 H new ATOM 0 HG SER A 59 3.905 18.341 8.751 1.00 0.00 H new ATOM 853 N SER A 60 5.930 16.504 4.863 1.00 0.00 N ATOM 854 CA SER A 60 6.654 15.490 4.106 1.00 0.00 C ATOM 855 C SER A 60 5.709 14.390 3.632 1.00 0.00 C ATOM 856 O SER A 60 4.574 14.288 4.098 1.00 0.00 O ATOM 857 CB SER A 60 7.770 14.886 4.959 1.00 0.00 C ATOM 858 OG SER A 60 7.245 14.246 6.108 1.00 0.00 O ATOM 0 H SER A 60 4.985 16.233 5.135 1.00 0.00 H new ATOM 0 HA SER A 60 7.094 15.970 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.337 14.168 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.465 15.669 5.261 1.00 0.00 H new ATOM 0 HG SER A 60 7.979 13.867 6.635 1.00 0.00 H new ATOM 864 N CYS A 61 6.185 13.569 2.702 1.00 0.00 N ATOM 865 CA CYS A 61 5.384 12.476 2.164 1.00 0.00 C ATOM 866 C CYS A 61 4.720 11.685 3.285 1.00 0.00 C ATOM 867 O CYS A 61 5.364 11.327 4.272 1.00 0.00 O ATOM 868 CB CYS A 61 6.254 11.549 1.315 1.00 0.00 C ATOM 869 SG CYS A 61 7.617 10.780 2.221 1.00 0.00 S ATOM 0 H CYS A 61 7.122 13.640 2.305 1.00 0.00 H new ATOM 0 HA CYS A 61 4.603 12.906 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.626 10.765 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.662 12.117 0.479 1.00 0.00 H new ATOM 0 HG CYS A 61 7.294 10.665 3.475 1.00 0.00 H new ATOM 875 N CYS A 62 3.428 11.415 3.127 1.00 0.00 N ATOM 876 CA CYS A 62 2.676 10.667 4.128 1.00 0.00 C ATOM 877 C CYS A 62 2.320 9.277 3.614 1.00 0.00 C ATOM 878 O CYS A 62 2.131 9.109 2.409 1.00 0.00 O ATOM 879 CB CYS A 62 1.403 11.424 4.510 1.00 0.00 C ATOM 880 SG CYS A 62 1.676 13.162 4.930 1.00 0.00 S ATOM 0 H CYS A 62 2.880 11.703 2.316 1.00 0.00 H new ATOM 0 HA CYS A 62 3.304 10.558 5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.697 11.368 3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.937 10.925 5.360 1.00 0.00 H new ATOM 0 HG CYS A 62 2.870 13.516 4.556 1.00 0.00 H new ATOM 886 N HIS A 63 2.238 8.319 4.526 1.00 0.00 N ATOM 887 CA HIS A 63 1.906 6.954 4.151 1.00 0.00 C ATOM 888 C HIS A 63 0.814 6.419 5.077 1.00 0.00 C ATOM 889 O HIS A 63 0.954 6.382 6.301 1.00 0.00 O ATOM 890 CB HIS A 63 3.159 6.075 4.140 1.00 0.00 C ATOM 891 CG HIS A 63 4.147 6.428 3.055 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.936 6.125 1.722 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.354 7.061 3.119 1.00 0.00 C ATOM 894 CE1 HIS A 63 4.975 6.559 1.023 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.853 7.139 1.892 1.00 0.00 N ATOM 0 H HIS A 63 2.396 8.461 5.524 1.00 0.00 H new ATOM 0 HA HIS A 63 1.512 6.937 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.654 6.154 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.859 5.034 4.019 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.119 5.648 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.824 7.435 4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.104 6.469 -0.046 1.00 0.00 H new ATOM 903 N PHE A 64 -0.287 5.999 4.464 1.00 0.00 N ATOM 904 CA PHE A 64 -1.421 5.463 5.208 1.00 0.00 C ATOM 905 C PHE A 64 -1.791 4.070 4.704 1.00 0.00 C ATOM 906 O PHE A 64 -1.901 3.843 3.500 1.00 0.00 O ATOM 907 CB PHE A 64 -2.626 6.397 5.088 1.00 0.00 C ATOM 908 CG PHE A 64 -2.284 7.845 5.294 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.905 8.640 4.224 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.341 8.411 6.557 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.590 9.972 4.409 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.029 9.744 6.748 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.651 10.526 5.674 1.00 0.00 C ATOM 0 H PHE A 64 -0.418 6.019 3.453 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.133 5.388 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.074 6.274 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.379 6.102 5.819 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.855 8.213 3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.632 7.804 7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.296 10.580 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.081 10.174 7.737 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.404 11.567 5.822 1.00 0.00 H new ATOM 923 N MET A 65 -1.980 3.142 5.636 1.00 0.00 N ATOM 924 CA MET A 65 -2.338 1.771 5.288 1.00 0.00 C ATOM 925 C MET A 65 -3.851 1.617 5.177 1.00 0.00 C ATOM 926 O MET A 65 -4.604 2.203 5.954 1.00 0.00 O ATOM 927 CB MET A 65 -1.789 0.797 6.331 1.00 0.00 C ATOM 928 CG MET A 65 -2.514 0.863 7.666 1.00 0.00 C ATOM 929 SD MET A 65 -2.011 -0.449 8.795 1.00 0.00 S ATOM 930 CE MET A 65 -2.688 -1.886 7.968 1.00 0.00 C ATOM 0 H MET A 65 -1.891 3.314 6.638 1.00 0.00 H new ATOM 0 HA MET A 65 -1.895 1.541 4.319 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.857 -0.218 5.940 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.731 1.007 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.323 1.830 8.131 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.589 0.798 7.495 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.045 -2.599 8.711 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.518 -1.581 7.330 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.914 -2.353 7.359 1.00 0.00 H new ATOM 940 N VAL A 66 -4.291 0.824 4.205 1.00 0.00 N ATOM 941 CA VAL A 66 -5.715 0.591 3.993 1.00 0.00 C ATOM 942 C VAL A 66 -6.052 -0.892 4.104 1.00 0.00 C ATOM 943 O VAL A 66 -5.658 -1.694 3.256 1.00 0.00 O ATOM 944 CB VAL A 66 -6.169 1.109 2.615 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.669 0.920 2.442 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.784 2.570 2.442 1.00 0.00 C ATOM 0 H VAL A 66 -3.682 0.332 3.552 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.245 1.140 4.771 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.662 0.530 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.972 1.291 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.914 -0.139 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.197 1.472 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.112 2.919 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.262 3.167 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.702 2.673 2.520 1.00 0.00 H new ATOM 956 N LYS A 67 -6.785 -1.250 5.152 1.00 0.00 N ATOM 957 CA LYS A 67 -7.178 -2.636 5.374 1.00 0.00 C ATOM 958 C LYS A 67 -8.353 -3.018 4.480 1.00 0.00 C ATOM 959 O LYS A 67 -9.047 -2.152 3.945 1.00 0.00 O ATOM 960 CB LYS A 67 -7.548 -2.854 6.842 1.00 0.00 C ATOM 961 CG LYS A 67 -6.581 -2.205 7.817 1.00 0.00 C ATOM 962 CD LYS A 67 -7.022 -2.403 9.257 1.00 0.00 C ATOM 963 CE LYS A 67 -8.091 -1.397 9.657 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.545 -1.597 11.061 1.00 0.00 N ATOM 0 H LYS A 67 -7.119 -0.599 5.862 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.330 -3.273 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.548 -2.458 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.589 -3.925 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.586 -2.628 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.507 -1.139 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.407 -3.415 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.162 -2.304 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.699 -0.386 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.944 -1.486 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.273 -0.892 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.943 -2.552 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.737 -1.487 11.706 1.00 0.00 H new ATOM 978 N LEU A 68 -8.573 -4.318 4.323 1.00 0.00 N ATOM 979 CA LEU A 68 -9.667 -4.815 3.495 1.00 0.00 C ATOM 980 C LEU A 68 -10.752 -5.458 4.354 1.00 0.00 C ATOM 981 O LEU A 68 -10.643 -6.622 4.742 1.00 0.00 O ATOM 982 CB LEU A 68 -9.141 -5.828 2.475 1.00 0.00 C ATOM 983 CG LEU A 68 -9.966 -5.983 1.198 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.333 -7.013 0.275 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.399 -6.374 1.532 1.00 0.00 C ATOM 0 H LEU A 68 -8.009 -5.048 4.758 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.103 -3.968 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.127 -5.540 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.074 -6.801 2.961 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.983 -5.023 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.934 -7.110 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.326 -6.692 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.284 -7.976 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.971 -6.480 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.401 -7.321 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.852 -5.601 2.154 1.00 0.00 H new ATOM 997 N LEU A 69 -11.798 -4.693 4.645 1.00 0.00 N ATOM 998 CA LEU A 69 -12.905 -5.187 5.456 1.00 0.00 C ATOM 999 C LEU A 69 -13.442 -6.503 4.900 1.00 0.00 C ATOM 1000 O LEU A 69 -13.007 -6.967 3.846 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.027 -4.149 5.511 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.700 -2.848 6.244 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.992 -3.137 7.558 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.851 -1.940 5.366 1.00 0.00 C ATOM 0 H LEU A 69 -11.903 -3.728 4.331 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.533 -5.364 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.319 -3.904 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.894 -4.605 5.990 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.635 -2.334 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.768 -2.198 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.636 -3.747 8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.064 -3.674 7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.628 -1.019 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.920 -2.446 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.396 -1.704 4.452 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.390 -7.099 5.615 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.988 -8.359 5.192 1.00 0.00 C ATOM 1018 C ASP A 70 -16.097 -8.119 4.172 1.00 0.00 C ATOM 1019 O ASP A 70 -16.433 -9.004 3.386 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.545 -9.114 6.400 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.926 -8.631 6.799 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -17.877 -8.849 6.020 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.055 -8.037 7.890 1.00 0.00 O ATOM 0 H ASP A 70 -14.761 -6.729 6.490 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.211 -8.962 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.588 -10.179 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.865 -8.997 7.243 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.661 -6.916 4.191 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.732 -6.559 3.268 1.00 0.00 C ATOM 1030 C ASP A 71 -17.163 -6.068 1.940 1.00 0.00 C ATOM 1031 O ASP A 71 -17.785 -5.265 1.246 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.627 -5.482 3.883 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.327 -5.959 5.140 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.400 -6.587 5.020 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -18.802 -5.705 6.245 1.00 0.00 O ATOM 0 H ASP A 71 -16.394 -6.172 4.835 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.329 -7.452 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.025 -4.604 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.373 -5.172 3.151 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.976 -6.557 1.594 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.344 -6.155 0.351 1.00 0.00 C ATOM 1042 C GLY A 72 -15.137 -4.657 0.263 1.00 0.00 C ATOM 1043 O GLY A 72 -15.143 -4.083 -0.827 1.00 0.00 O ATOM 0 H GLY A 72 -15.442 -7.223 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.381 -6.658 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.958 -6.484 -0.488 1.00 0.00 H new ATOM 1047 N THR A 73 -14.954 -4.017 1.415 1.00 0.00 N ATOM 1048 CA THR A 73 -14.747 -2.576 1.464 1.00 0.00 C ATOM 1049 C THR A 73 -13.364 -2.237 2.008 1.00 0.00 C ATOM 1050 O THR A 73 -12.583 -3.127 2.347 1.00 0.00 O ATOM 1051 CB THR A 73 -15.813 -1.885 2.337 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.762 -2.399 3.672 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.204 -2.096 1.759 1.00 0.00 C ATOM 0 H THR A 73 -14.945 -4.475 2.326 1.00 0.00 H new ATOM 0 HA THR A 73 -14.832 -2.210 0.441 1.00 0.00 H new ATOM 0 HB THR A 73 -15.601 -0.816 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.090 -3.323 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.940 -1.600 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.248 -1.677 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.422 -3.163 1.717 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.066 -0.944 2.091 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.776 -0.488 2.594 1.00 0.00 C ATOM 1063 C PHE A 74 -11.952 0.673 3.568 1.00 0.00 C ATOM 1064 O PHE A 74 -12.754 1.578 3.334 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.874 -0.062 1.434 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.854 -1.045 0.298 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.813 -0.990 -0.699 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.876 -2.025 0.230 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.797 -1.893 -1.746 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.855 -2.930 -0.814 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.818 -2.864 -1.803 1.00 0.00 C ATOM 0 H PHE A 74 -13.701 -0.194 1.816 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.307 -1.317 3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.209 0.906 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.858 0.073 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.582 -0.233 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.122 -2.082 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.550 -1.838 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.087 -3.688 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.804 -3.571 -2.619 1.00 0.00 H new ATOM 1081 N MET A 75 -11.198 0.640 4.662 1.00 0.00 N ATOM 1082 CA MET A 75 -11.270 1.690 5.672 1.00 0.00 C ATOM 1083 C MET A 75 -9.927 1.861 6.375 1.00 0.00 C ATOM 1084 O MET A 75 -9.361 0.899 6.895 1.00 0.00 O ATOM 1085 CB MET A 75 -12.358 1.366 6.698 1.00 0.00 C ATOM 1086 CG MET A 75 -12.173 2.081 8.026 1.00 0.00 C ATOM 1087 SD MET A 75 -13.738 2.420 8.857 1.00 0.00 S ATOM 1088 CE MET A 75 -13.267 3.780 9.923 1.00 0.00 C ATOM 0 H MET A 75 -10.530 -0.102 4.872 1.00 0.00 H new ATOM 0 HA MET A 75 -11.520 2.625 5.171 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.329 1.634 6.282 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.372 0.290 6.873 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.545 1.473 8.677 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.644 3.019 7.858 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.131 4.103 10.504 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.476 3.455 10.599 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.907 4.611 9.316 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.423 3.090 6.386 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.147 3.386 7.026 1.00 0.00 C ATOM 1100 C ILE A 76 -8.262 3.306 8.544 1.00 0.00 C ATOM 1101 O ILE A 76 -9.236 3.763 9.143 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.631 4.783 6.633 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.444 4.874 5.118 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.326 5.087 7.354 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -6.909 6.211 4.655 1.00 0.00 C ATOM 0 H ILE A 76 -9.878 3.897 5.959 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.437 2.635 6.678 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.370 5.526 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.761 4.087 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.400 4.686 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.974 6.077 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.490 5.059 8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.578 4.342 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.801 6.204 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.602 7.001 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.938 6.393 5.115 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.243 2.714 9.186 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.205 2.564 10.643 1.00 0.00 C ATOM 1119 C PRO A 77 -7.010 3.896 11.359 1.00 0.00 C ATOM 1120 O PRO A 77 -5.883 4.358 11.535 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.998 1.651 10.874 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.123 1.873 9.688 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.049 2.148 8.536 1.00 0.00 C ATOM 0 HA PRO A 77 -8.140 2.165 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.482 1.904 11.800 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.301 0.607 10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.447 2.711 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.504 0.998 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.609 2.847 7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.285 1.238 7.984 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.115 4.509 11.771 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.044 5.783 12.463 1.00 0.00 C ATOM 1133 C GLY A 78 -9.249 6.661 12.189 1.00 0.00 C ATOM 1134 O GLY A 78 -9.568 7.550 12.977 1.00 0.00 O ATOM 0 H GLY A 78 -9.059 4.146 11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.964 5.606 13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.139 6.308 12.158 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.917 6.412 11.068 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.092 7.189 10.691 1.00 0.00 C ATOM 1140 C GLU A 79 -12.364 6.558 11.251 1.00 0.00 C ATOM 1141 O GLU A 79 -12.318 5.519 11.911 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.193 7.298 9.168 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.861 7.567 8.489 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.018 8.284 7.161 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.724 9.313 7.122 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.434 7.815 6.162 1.00 0.00 O ATOM 0 H GLU A 79 -9.665 5.679 10.405 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.985 8.188 11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.613 6.373 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.889 8.098 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.235 8.167 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.342 6.622 8.329 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.500 7.195 10.985 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.786 6.698 11.462 1.00 0.00 C ATOM 1155 C LYS A 80 -15.728 6.421 10.294 1.00 0.00 C ATOM 1156 O LYS A 80 -16.946 6.373 10.465 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.424 7.709 12.417 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.632 7.920 13.696 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.528 8.946 13.506 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.092 10.349 13.352 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.077 11.393 13.666 1.00 0.00 N ATOM 0 H LYS A 80 -13.556 8.056 10.442 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.612 5.764 11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.530 8.665 11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.428 7.371 12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.303 8.249 14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.198 6.973 14.017 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.851 8.916 14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.940 8.690 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.450 10.486 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.952 10.469 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.501 12.336 13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.753 11.278 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.267 11.295 13.021 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.156 6.240 9.108 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.945 5.966 7.913 1.00 0.00 C ATOM 1177 C VAL A 81 -15.229 4.978 6.998 1.00 0.00 C ATOM 1178 O VAL A 81 -14.059 4.661 7.203 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.241 7.256 7.127 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.446 7.974 7.713 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.021 8.165 7.118 1.00 0.00 C ATOM 0 H VAL A 81 -14.149 6.278 8.949 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.887 5.531 8.248 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.474 6.988 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.640 8.883 7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.318 7.322 7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.245 8.232 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.247 9.072 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.755 8.427 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.185 7.647 6.647 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.942 4.498 5.984 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.375 3.547 5.034 1.00 0.00 C ATOM 1193 C ALA A 82 -15.881 3.816 3.621 1.00 0.00 C ATOM 1194 O ALA A 82 -16.695 4.713 3.402 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.703 2.123 5.452 1.00 0.00 C ATOM 0 H ALA A 82 -16.913 4.752 5.799 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.292 3.673 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.273 1.425 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.286 1.929 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.785 1.993 5.482 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.392 3.033 2.664 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.795 3.187 1.270 1.00 0.00 C ATOM 1203 C HIS A 83 -15.792 1.842 0.553 1.00 0.00 C ATOM 1204 O HIS A 83 -15.180 0.879 1.016 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.862 4.163 0.553 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.470 5.342 1.390 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -13.337 5.597 2.085 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -15.290 6.433 1.584 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -13.492 6.824 2.681 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.679 7.308 2.363 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.717 2.286 2.828 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.809 3.586 1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.962 3.632 0.244 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.350 4.518 -0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.278 6.554 1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.762 7.314 3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -15.059 8.204 2.667 1.00 0.00 H new ATOM 1218 N THR A 84 -16.481 1.780 -0.583 1.00 0.00 N ATOM 1219 CA THR A 84 -16.559 0.552 -1.365 1.00 0.00 C ATOM 1220 C THR A 84 -15.206 0.199 -1.970 1.00 0.00 C ATOM 1221 O THR A 84 -14.701 -0.907 -1.781 1.00 0.00 O ATOM 1222 CB THR A 84 -17.600 0.672 -2.495 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.406 1.896 -3.212 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.013 0.623 -1.936 1.00 0.00 C ATOM 0 H THR A 84 -16.993 2.567 -0.982 1.00 0.00 H new ATOM 0 HA THR A 84 -16.865 -0.240 -0.682 1.00 0.00 H new ATOM 0 HB THR A 84 -17.466 -0.170 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.070 1.964 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.730 0.710 -2.752 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.166 -0.323 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.157 1.447 -1.238 1.00 0.00 H new ATOM 1232 N SER A 85 -14.623 1.146 -2.698 1.00 0.00 N ATOM 1233 CA SER A 85 -13.329 0.931 -3.334 1.00 0.00 C ATOM 1234 C SER A 85 -12.494 2.210 -3.311 1.00 0.00 C ATOM 1235 O SER A 85 -13.027 3.310 -3.162 1.00 0.00 O ATOM 1236 CB SER A 85 -13.517 0.459 -4.777 1.00 0.00 C ATOM 1237 OG SER A 85 -13.654 -0.951 -4.837 1.00 0.00 O ATOM 0 H SER A 85 -15.026 2.069 -2.862 1.00 0.00 H new ATOM 0 HA SER A 85 -12.800 0.160 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.400 0.932 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.664 0.771 -5.379 1.00 0.00 H new ATOM 0 HG SER A 85 -14.001 -1.283 -3.982 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.183 2.055 -3.461 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.274 3.195 -3.458 1.00 0.00 C ATOM 1245 C LEU A 86 -10.896 4.390 -4.172 1.00 0.00 C ATOM 1246 O LEU A 86 -10.858 5.515 -3.671 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.950 2.819 -4.127 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.214 1.619 -3.531 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.125 1.137 -4.477 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.625 1.976 -2.174 1.00 0.00 C ATOM 0 H LEU A 86 -10.726 1.152 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.084 3.473 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.143 2.615 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.287 3.683 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.930 0.809 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.612 0.282 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.572 0.842 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.409 1.941 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.105 1.110 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.922 2.801 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.426 2.272 -1.496 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.471 4.140 -5.343 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.105 5.195 -6.125 1.00 0.00 C ATOM 1264 C ASP A 87 -13.053 6.018 -5.258 1.00 0.00 C ATOM 1265 O ASP A 87 -12.919 7.238 -5.162 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.867 4.594 -7.308 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.115 3.451 -7.960 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -12.076 2.352 -7.369 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -11.566 3.656 -9.064 1.00 0.00 O ATOM 0 H ASP A 87 -11.511 3.215 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.323 5.854 -6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.839 4.238 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.054 5.371 -8.049 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.011 5.343 -4.632 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.981 6.013 -3.774 1.00 0.00 C ATOM 1276 C ALA A 88 -14.336 6.467 -2.469 1.00 0.00 C ATOM 1277 O ALA A 88 -14.941 7.205 -1.689 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.158 5.092 -3.490 1.00 0.00 C ATOM 0 H ALA A 88 -14.136 4.333 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.344 6.898 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.875 5.605 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.641 4.819 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.803 4.191 -2.990 1.00 0.00 H new ATOM 1284 N LEU A 89 -13.106 6.022 -2.235 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.379 6.384 -1.023 1.00 0.00 C ATOM 1286 C LEU A 89 -11.431 7.550 -1.284 1.00 0.00 C ATOM 1287 O LEU A 89 -10.987 8.222 -0.353 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.594 5.180 -0.499 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.285 5.497 0.225 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.911 4.366 1.171 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.168 5.747 -0.778 1.00 0.00 C ATOM 0 H LEU A 89 -12.591 5.410 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.105 6.693 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.236 4.621 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.371 4.523 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.428 6.403 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.977 4.609 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.701 4.234 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.787 3.443 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.244 5.971 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.026 4.859 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.433 6.591 -1.415 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.125 7.784 -2.556 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.232 8.871 -2.940 1.00 0.00 C ATOM 1305 C VAL A 90 -10.982 10.197 -3.018 1.00 0.00 C ATOM 1306 O VAL A 90 -10.404 11.264 -2.808 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.561 8.592 -4.297 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.554 9.684 -4.630 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.894 7.226 -4.291 1.00 0.00 C ATOM 0 H VAL A 90 -11.482 7.235 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.463 8.937 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.330 8.592 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.090 9.470 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.064 10.646 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.786 9.719 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.425 7.046 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.136 7.195 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.642 6.456 -4.102 1.00 0.00 H new ATOM 1319 N THR A 91 -12.274 10.122 -3.323 1.00 0.00 N ATOM 1320 CA THR A 91 -13.103 11.315 -3.431 1.00 0.00 C ATOM 1321 C THR A 91 -13.440 11.877 -2.054 1.00 0.00 C ATOM 1322 O THR A 91 -13.302 13.077 -1.812 1.00 0.00 O ATOM 1323 CB THR A 91 -14.413 11.023 -4.187 1.00 0.00 C ATOM 1324 OG1 THR A 91 -14.127 10.683 -5.550 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.343 12.227 -4.146 1.00 0.00 C ATOM 0 H THR A 91 -12.768 9.247 -3.499 1.00 0.00 H new ATOM 0 HA THR A 91 -12.525 12.051 -3.990 1.00 0.00 H new ATOM 0 HB THR A 91 -14.908 10.184 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.965 10.497 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.261 11.996 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.582 12.467 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.853 13.082 -4.612 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.881 11.003 -1.156 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.237 11.412 0.198 1.00 0.00 C ATOM 1335 C PHE A 92 -13.022 11.970 0.935 1.00 0.00 C ATOM 1336 O PHE A 92 -13.153 12.827 1.811 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.820 10.231 0.974 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.463 10.625 2.274 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.686 10.943 3.376 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.842 10.675 2.392 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.274 11.306 4.573 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.435 11.038 3.587 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.650 11.352 4.679 1.00 0.00 C ATOM 0 H PHE A 92 -14.001 10.007 -1.341 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.989 12.197 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.559 9.727 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.026 9.511 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.609 10.907 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.460 10.428 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.658 11.553 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.511 11.076 3.666 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.111 11.633 5.614 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.842 11.478 0.575 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.604 11.927 1.201 1.00 0.00 C ATOM 1355 C HIS A 93 -10.287 13.368 0.811 1.00 0.00 C ATOM 1356 O HIS A 93 -9.776 14.141 1.619 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.444 11.012 0.802 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.410 9.723 1.563 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -10.106 9.522 2.737 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.760 8.563 1.310 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.883 8.296 3.173 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -9.070 7.693 2.326 1.00 0.00 N ATOM 0 H HIS A 93 -11.717 10.768 -0.147 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.737 11.883 2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.514 10.794 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.504 11.541 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.117 8.360 0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.296 7.860 4.071 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.728 6.736 2.412 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.595 13.719 -0.433 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.342 15.066 -0.931 1.00 0.00 C ATOM 1372 C GLN A 94 -11.070 16.105 -0.084 1.00 0.00 C ATOM 1373 O GLN A 94 -10.814 17.303 -0.200 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.780 15.184 -2.392 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.690 14.821 -3.386 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.202 14.740 -4.811 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.134 13.991 -5.106 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.593 15.511 -5.704 1.00 0.00 N ATOM 0 H GLN A 94 -11.020 13.090 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.271 15.255 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.641 14.537 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.108 16.206 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.893 15.563 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.253 13.862 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.825 16.117 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.893 15.498 -6.679 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.977 15.636 0.767 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.742 16.526 1.632 1.00 0.00 C ATOM 1389 C GLN A 95 -12.422 16.265 3.101 1.00 0.00 C ATOM 1390 O GLN A 95 -12.446 17.180 3.925 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.241 16.346 1.386 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.620 16.349 -0.086 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.120 16.382 -0.302 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.787 17.359 0.040 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.660 15.312 -0.872 1.00 0.00 N ATOM 0 H GLN A 95 -12.200 14.647 0.876 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.462 17.552 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.564 15.406 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.783 17.144 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.168 17.213 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.207 15.461 -0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.070 14.524 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.665 15.277 -1.042 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.120 15.011 3.422 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.794 14.629 4.791 1.00 0.00 C ATOM 1406 C LYS A 96 -10.381 14.060 4.874 1.00 0.00 C ATOM 1407 O LYS A 96 -10.060 13.041 4.261 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.801 13.601 5.309 1.00 0.00 C ATOM 1409 CG LYS A 96 -13.997 14.221 6.008 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.748 14.391 7.498 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.802 13.057 8.228 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.172 13.136 9.575 1.00 0.00 N ATOM 0 H LYS A 96 -12.094 14.242 2.752 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.844 15.522 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.153 12.996 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.296 12.927 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.217 15.191 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.875 13.593 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.774 14.854 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.493 15.067 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.840 12.741 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.295 12.297 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.229 12.207 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.174 13.413 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.672 13.843 10.151 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.516 14.729 5.650 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.125 14.306 5.833 1.00 0.00 C ATOM 1428 C PRO A 97 -8.011 13.022 6.647 1.00 0.00 C ATOM 1429 O PRO A 97 -9.016 12.379 6.951 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.494 15.477 6.591 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.633 16.125 7.301 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.830 15.952 6.409 1.00 0.00 C ATOM 0 HA PRO A 97 -7.639 14.084 4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.735 15.132 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.005 16.173 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.801 15.662 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.430 17.181 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.748 15.842 6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.968 16.810 5.750 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.784 12.656 6.998 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.540 11.449 7.779 1.00 0.00 C ATOM 1442 C ILE A 98 -6.439 11.768 9.266 1.00 0.00 C ATOM 1443 O ILE A 98 -5.875 12.789 9.654 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.251 10.737 7.328 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.050 10.902 5.820 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.299 9.265 7.703 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.263 10.515 5.004 1.00 0.00 C ATOM 0 H ILE A 98 -5.942 13.178 6.754 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.389 10.786 7.609 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.404 11.195 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.795 11.940 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.202 10.294 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.381 8.776 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.398 9.168 8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.153 8.793 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.049 10.657 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.506 9.469 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.109 11.140 5.290 1.00 0.00 H new ATOM 1459 N GLU A 99 -6.988 10.883 10.094 1.00 0.00 N ATOM 1460 CA GLU A 99 -6.959 11.071 11.539 1.00 0.00 C ATOM 1461 C GLU A 99 -5.653 11.729 11.976 1.00 0.00 C ATOM 1462 O GLU A 99 -5.641 12.797 12.589 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.130 9.728 12.253 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.405 9.652 13.587 1.00 0.00 C ATOM 1465 CD GLU A 99 -6.987 8.597 14.507 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.020 8.875 15.152 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.411 7.491 14.581 1.00 0.00 O ATOM 0 H GLU A 99 -7.457 10.030 9.788 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.785 11.728 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.192 9.545 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.765 8.932 11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.351 9.435 13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.453 10.624 14.078 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.525 11.077 11.655 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.194 11.580 12.004 1.00 0.00 C ATOM 1476 C PRO A 100 -2.816 12.824 11.207 1.00 0.00 C ATOM 1477 O PRO A 100 -2.396 13.832 11.776 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.269 10.414 11.643 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.005 9.658 10.592 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.464 9.799 10.926 1.00 0.00 C ATOM 0 HA PRO A 100 -3.135 11.883 13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.308 10.771 11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.064 9.788 12.511 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.791 10.058 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.706 8.610 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.082 9.819 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.818 8.970 11.538 1.00 0.00 H new ATOM 1488 N ARG A 101 -2.971 12.748 9.889 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.646 13.868 9.016 1.00 0.00 C ATOM 1490 C ARG A 101 -3.905 14.636 8.626 1.00 0.00 C ATOM 1491 O ARG A 101 -4.786 14.102 7.952 1.00 0.00 O ATOM 1492 CB ARG A 101 -1.929 13.371 7.759 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.568 12.754 8.037 1.00 0.00 C ATOM 1494 CD ARG A 101 0.318 13.698 8.836 1.00 0.00 C ATOM 1495 NE ARG A 101 0.156 13.514 10.275 1.00 0.00 N ATOM 1496 CZ ARG A 101 0.578 12.439 10.931 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.185 11.456 10.279 1.00 0.00 N ATOM 1498 NH2 ARG A 101 0.394 12.345 12.242 1.00 0.00 N ATOM 0 H ARG A 101 -3.320 11.922 9.403 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.985 14.541 9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.558 12.633 7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.806 14.205 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.695 11.821 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.080 12.506 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.361 13.533 8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.079 14.729 8.573 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.307 14.252 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.329 11.525 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.508 10.632 10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.072 13.099 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.719 11.519 12.745 1.00 0.00 H new ATOM 1512 N ARG A 102 -3.982 15.892 9.054 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.135 16.733 8.750 1.00 0.00 C ATOM 1514 C ARG A 102 -5.063 17.258 7.320 1.00 0.00 C ATOM 1515 O ARG A 102 -6.011 17.866 6.824 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.210 17.904 9.732 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.145 18.964 9.499 1.00 0.00 C ATOM 1518 CD ARG A 102 -2.806 18.547 10.087 1.00 0.00 C ATOM 1519 NE ARG A 102 -1.977 19.699 10.429 1.00 0.00 N ATOM 1520 CZ ARG A 102 -1.202 20.332 9.556 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -1.150 19.926 8.294 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -0.475 21.373 9.943 1.00 0.00 N ATOM 0 H ARG A 102 -3.261 16.350 9.612 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.034 16.125 8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.194 18.367 9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.114 17.522 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.034 19.141 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.463 19.905 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.974 17.943 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.276 17.918 9.372 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.994 20.036 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.706 19.126 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.554 20.414 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.511 21.688 10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.120 21.858 9.271 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.932 17.020 6.664 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.737 17.470 5.290 1.00 0.00 C ATOM 1538 C GLU A 103 -4.714 16.776 4.346 1.00 0.00 C ATOM 1539 O GLU A 103 -5.022 15.595 4.511 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.299 17.203 4.842 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.785 18.200 3.816 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.407 18.003 2.448 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.994 17.062 1.738 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.307 18.790 2.087 1.00 0.00 O ATOM 0 H GLU A 103 -3.137 16.519 7.061 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.927 18.543 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.646 17.223 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.239 16.199 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.993 19.212 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.702 18.107 3.735 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.198 17.517 3.356 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.141 16.974 2.385 1.00 0.00 C ATOM 1553 C LEU A 104 -5.456 16.715 1.046 1.00 0.00 C ATOM 1554 O LEU A 104 -4.242 16.880 0.916 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.315 17.936 2.191 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.495 17.754 3.147 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.485 18.899 2.995 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.180 16.418 2.903 1.00 0.00 C ATOM 0 H LEU A 104 -4.953 18.495 3.204 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.515 16.026 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.944 18.956 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.681 17.830 1.170 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.115 17.762 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.318 18.753 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.988 19.842 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.859 18.923 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.017 16.307 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.547 16.379 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.467 15.609 3.064 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.240 16.311 0.054 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.710 16.032 -1.276 1.00 0.00 C ATOM 1572 C LEU A 105 -6.114 17.121 -2.263 1.00 0.00 C ATOM 1573 O LEU A 105 -6.929 17.990 -1.948 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.207 14.671 -1.769 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.006 13.496 -0.812 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.642 12.235 -1.374 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.524 13.274 -0.543 1.00 0.00 C ATOM 0 H LEU A 105 -7.246 16.169 0.145 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.622 16.013 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.271 14.754 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.702 14.440 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.494 13.735 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.489 11.409 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.711 12.398 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.183 11.992 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.400 12.434 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.012 13.058 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.097 14.171 -0.095 1.00 0.00 H new ATOM 1589 N THR A 106 -5.541 17.069 -3.462 1.00 0.00 N ATOM 1590 CA THR A 106 -5.842 18.050 -4.497 1.00 0.00 C ATOM 1591 C THR A 106 -6.079 17.375 -5.843 1.00 0.00 C ATOM 1592 O THR A 106 -7.141 17.532 -6.446 1.00 0.00 O ATOM 1593 CB THR A 106 -4.704 19.078 -4.645 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.634 18.516 -5.412 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.184 19.510 -3.282 1.00 0.00 C ATOM 0 H THR A 106 -4.865 16.357 -3.740 1.00 0.00 H new ATOM 0 HA THR A 106 -6.751 18.566 -4.188 1.00 0.00 H new ATOM 0 HB THR A 106 -5.100 19.954 -5.160 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.915 19.176 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.381 20.236 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.994 19.963 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.804 18.641 -2.745 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.086 16.624 -6.306 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.189 15.925 -7.582 1.00 0.00 C ATOM 1605 C GLN A 107 -4.368 14.639 -7.565 1.00 0.00 C ATOM 1606 O GLN A 107 -3.370 14.520 -6.856 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.719 16.830 -8.722 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.280 17.297 -8.575 1.00 0.00 C ATOM 1609 CD GLN A 107 -2.904 18.359 -9.588 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.439 18.050 -10.685 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.105 19.621 -9.227 1.00 0.00 N ATOM 0 H GLN A 107 -4.202 16.484 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.235 15.664 -7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.824 16.295 -9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.371 17.702 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.131 17.691 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.612 16.443 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.493 19.833 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.872 20.378 -9.869 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.799 13.653 -8.365 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.117 12.357 -8.461 1.00 0.00 C ATOM 1622 C PRO A 108 -2.764 12.464 -9.155 1.00 0.00 C ATOM 1623 O PRO A 108 -2.602 13.231 -10.105 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.082 11.511 -9.296 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.853 12.498 -10.101 1.00 0.00 C ATOM 1626 CD PRO A 108 -5.981 13.725 -9.240 1.00 0.00 C ATOM 0 HA PRO A 108 -3.899 11.936 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.543 10.813 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.740 10.918 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.338 12.728 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.834 12.104 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.984 14.637 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.907 13.718 -8.665 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.796 11.690 -8.676 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.456 11.698 -9.251 1.00 0.00 C ATOM 1636 C CYS A 109 -0.422 10.919 -10.562 1.00 0.00 C ATOM 1637 O CYS A 109 -1.249 10.037 -10.793 1.00 0.00 O ATOM 1638 CB CYS A 109 0.548 11.102 -8.263 1.00 0.00 C ATOM 1639 SG CYS A 109 2.247 11.045 -8.882 1.00 0.00 S ATOM 0 H CYS A 109 -1.914 11.049 -7.891 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.182 12.732 -9.457 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.527 11.686 -7.343 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.232 10.091 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 109 2.336 10.155 -9.825 1.00 0.00 H new ATOM 1645 N ARG A 110 0.539 11.253 -11.418 1.00 0.00 N ATOM 1646 CA ARG A 110 0.678 10.587 -12.708 1.00 0.00 C ATOM 1647 C ARG A 110 1.995 9.819 -12.783 1.00 0.00 C ATOM 1648 O ARG A 110 3.043 10.329 -12.389 1.00 0.00 O ATOM 1649 CB ARG A 110 0.605 11.609 -13.844 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.284 12.801 -13.533 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.755 12.460 -13.713 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.151 12.463 -15.118 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.406 13.570 -15.807 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.306 14.756 -15.224 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -2.761 13.491 -17.083 1.00 0.00 N ATOM 0 H ARG A 110 1.232 11.980 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.143 9.878 -12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.611 11.965 -14.067 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.235 11.115 -14.743 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.108 13.130 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.020 13.633 -14.185 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.955 11.479 -13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.363 13.179 -13.164 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.237 11.566 -15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.033 14.821 -14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.502 15.604 -15.756 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.838 12.580 -17.535 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.957 14.341 -17.611 1.00 0.00 H new ATOM 1669 N GLN A 111 1.930 8.593 -13.291 1.00 0.00 N ATOM 1670 CA GLN A 111 3.117 7.755 -13.417 1.00 0.00 C ATOM 1671 C GLN A 111 4.224 8.489 -14.166 1.00 0.00 C ATOM 1672 O GLN A 111 3.997 9.548 -14.751 1.00 0.00 O ATOM 1673 CB GLN A 111 2.774 6.452 -14.140 1.00 0.00 C ATOM 1674 CG GLN A 111 1.768 5.590 -13.394 1.00 0.00 C ATOM 1675 CD GLN A 111 0.335 5.900 -13.777 1.00 0.00 C ATOM 1676 OE1 GLN A 111 0.075 6.497 -14.823 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.606 5.496 -12.932 1.00 0.00 N ATOM 0 H GLN A 111 1.069 8.158 -13.622 1.00 0.00 H new ATOM 0 HA GLN A 111 3.474 7.522 -12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.377 6.688 -15.127 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.689 5.879 -14.293 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.975 4.539 -13.597 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.893 5.738 -12.321 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.347 5.005 -12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.588 5.677 -13.138 1.00 0.00 H new ATOM 1686 N LYS A 112 5.424 7.920 -14.144 1.00 0.00 N ATOM 1687 CA LYS A 112 6.569 8.518 -14.822 1.00 0.00 C ATOM 1688 C LYS A 112 6.696 7.988 -16.246 1.00 0.00 C ATOM 1689 O LYS A 112 7.794 7.672 -16.705 1.00 0.00 O ATOM 1690 CB LYS A 112 7.855 8.233 -14.043 1.00 0.00 C ATOM 1691 CG LYS A 112 7.979 9.035 -12.759 1.00 0.00 C ATOM 1692 CD LYS A 112 8.715 10.344 -12.987 1.00 0.00 C ATOM 1693 CE LYS A 112 8.961 11.082 -11.680 1.00 0.00 C ATOM 1694 NZ LYS A 112 9.181 12.538 -11.896 1.00 0.00 N ATOM 0 H LYS A 112 5.630 7.044 -13.663 1.00 0.00 H new ATOM 0 HA LYS A 112 6.411 9.595 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.897 7.171 -13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.712 8.450 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.986 9.240 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.508 8.445 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.667 10.146 -13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.135 10.976 -13.659 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.108 10.939 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.830 10.654 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.668 12.942 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.765 12.679 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.264 13.012 -12.024 1.00 0.00 H new